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199684-03-2 | Ethanone, 1-(5-bromo-1-methyl-4-nitro-1H-pyrrol-2-yl)-
CAS No: 199684-03-2 Catalog No: AG002CA5 MDL No:
Product Description
Catalog Number:
AG002CA5
Chemical Name:
Ethanone, 1-(5-bromo-1-methyl-4-nitro-1H-pyrrol-2-yl)-
CAS Number:
199684-03-2
Molecular Formula:
C7H7BrN2O3
Molecular Weight:
247.0461
IUPAC Name:
1-(5-bromo-1-methyl-4-nitropyrrol-2-yl)ethanone
InChI:
InChI=1S/C7H7BrN2O3/c1-4(11)5-3-6(10(12)13)7(8)9(5)2/h3H,1-2H3
InChI Key:
SXQSJNKJTKRUCL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(n(c1Br)C)C(=O)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.964g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.048g/mol
Monoisotopic Mass:
245.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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